4-(methylamino)-5-nitro-2-pyridin-1-ium-1-yl-pyridine-3-carbonitrile

Systemtic Name: 4-(methylamino)-5-nitro-2-pyridin-1-ium-1-yl-pyridine-3-carbonitrile Openeye Name: 4-(methylamino)-5-nitro-2-pyridin-1-ium-1-yl-pyridine-3-carbonitrile CAS Name: 4-(methylamino)-5-nitro-2-(1-pyridin-1-iumyl)-3-pyridinecarbonitrile IUPAC Name: 4-(methylamino)-5-nitro-2-pyridin-1-ium-1-ylpyridine-3-carbonitrile Traditional Name: 4-(methylamino)-5-nitro-2-pyridin-1-ium-1-yl-nicotinonitrile Formula: C12H10N5O2+ MolecularWeight: 256.2401

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C(=NC=C1[N+](=O)[O-])[N+]2=CC=CC=C2)C#N

Isomeric SMILES

CNC1=C(C(=NC=C1[N+](=O)[O-])[N+]2=CC=CC=C2)C#N

InChI

InChI=1S/C12H10N5O2/c1-14-11-9(7-13)12(15-8-10(11)17(18)19)16-5-3-2-4-6-16/h2-6,8H,1H3,(H,14,15)/q+1